N-[4-(cyclopropylmethyl)-2-methyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-4-nitro-benzamide

Systemtic Name: N-[4-(cyclopropylmethyl)-2-methyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-4-nitro-benzamide Openeye Name: N-[4-(cyclopropylmethyl)-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-nitro-benzamide CAS Name: N-[4-(cyclopropylmethyl)-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-nitrobenzamide IUPAC Name: N-[4-(cyclopropylmethyl)-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-nitrobenzamide Traditional Name: N-[4-(cyclopropylmethyl)-3-keto-2-methyl-5H-1,4-benzoxazepin-7-yl]-4-nitro-benzamide Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])CC4CC4

Isomeric SMILES

CC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])CC4CC4

InChI

InChI=1S/C21H21N3O5/c1-13-21(26)23(11-14-2-3-14)12-16-10-17(6-9-19(16)29-13)22-20(25)15-4-7-18(8-5-15)24(27)28/h4-10,13-14H,2-3,11-12H2,1H3,(H,22,25)